LigandBox (201710): Download Molecular Data

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Property file

Containing properties for all the molecules in the tab-delimited format

[DOWNLOAD THE PROPERTY_FILE(gzipped):426.1 MB]

[DOWNLOAD THE PROPERTY_FILE:1779.4 MB]

Single Conformer

Containing one conformer (*-01.mol2) for each compound.

SupplierFile size
Namiki1710.mol2.gz5719.5 MB
Kishida2017.mol2.gz5360.6 MB
PDB_LIGAND.mol2.gz27.6 MB

Multiple Conformer

Containing multiple conformer (*-01.mol2, *-02.mol2, *-03.mol2,..) for each compound.

SupplierFile size
Namiki1710.mol2.gz8273.3 MB
Kishida2017.mol2.gz6679.6 MB
PDB_LIGAND.mol2.gz96.2 MB

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LigandBox database version : '201710'
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LastModified: 20180813